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C> \brief Compute 1-electron Gaussian periodic multipole
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C> integrals of a particular multipole of \f$l_{max}\f$
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C> See [1] for details.
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C> [1] JE Jaffe, AC Hess,
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C> <i>"Gaussian basis density functional theory for systems
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C> periodic in two or three dimensions: Energy and forces"</i>,
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C> J.Chem.Phys. <b>105</b>, 10983-10998 (1996), DOI:
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C> <a href="http://dx.doi.org/10.1063/1.472866">
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C> 10.1063/1.472866</a>
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subroutine intp_mpolel(i_basis, ish, j_basis, jsh, R,
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& lscr, scr, lmpint, MP, num_mpint)
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* $Id: intp_mpolel.F 19696 2010-10-29 16:53:42Z d3y133 $
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* $Id: intp_mpolel.F 23392 2013-01-07 20:00:04Z d3y133 $
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c routine to compute multipole integrals at a given lvalue with the
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external int_chk_init
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external int_nint_cart, int_nint
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integer i_basis ! [input] basis set handle for ish
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integer ish ! [input] i shell/contraction
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integer j_basis ! [input] basis set handle for jsh
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integer jsh ! [input] j shell/contraction
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integer i_basis !< [Input] basis set handle for ish
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integer ish !< [Input] i shell/contraction
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integer j_basis !< [Input] basis set handle for jsh
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integer jsh !< [Input] j shell/contraction
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c... translation vectors are in fractional coordinates
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double precision R(3) ! [input] translation vec on j cont.
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integer lval ! [input] maximum lvalue for
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*.......................................... multipole integrals
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*.......................................... in this batch
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double precision centerl(3) ! [input] coordinates of multipole
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integer lscr ! [input] length of scratch array
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double precision scr(lscr) ! [input] scratch array
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integer lmpint ! [input] length of multipole
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*.......................................... integrals array
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double precision MP(lmpint) ! [output] multipole integrals
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integer num_mpint ! [output] number of multipole integrals
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double precision R(3) !< [Input] translation vec on j cont.
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integer lval !< [Input] maximum lvalue for
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!< multipole integrals in this batch
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double precision centerl(3) !< [Input] coordinates of multipole
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integer lscr !< [Input] length of scratch array
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double precision scr(lscr) !< [Input] scratch array
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integer lmpint !< [Input] length of multipole
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double precision MP(lmpint) !< [Output] multipole integrals
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integer num_mpint !< [Output] number of multipole integrals
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logical shells_ok
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integer ibas, Li, i_prim, i_gen, i_iexp, i_icfp, i_cent, i_geom